COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545818
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]butanamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2scc(n2)c2cccs2)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 634.78
Empirical Formula: C32H34N4O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.296
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 184
Number of rings: 5

     

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